3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-dipropylbenzamide

C18H27N3O2 — CID 119410677

IUPAC3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)N2CC[C@@H](N)C2)c1
InChIInChI=1S/C18H27N3O2/c1-3-9-20(10-4-2)17(22)14-6-5-7-15(12-14)18(23)21-11-8-16(19)13-21/h5-7,12,16H,3-4,8-11,13,19H2,1-2H3/t16-/m1/s1
InChIKeyDSJKBLQMVCRVGX-MRXNPFEDSA-N
MW317.43 g/mol
LogP2.12
Rot. Bonds6

About 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-dipropylbenzamide

3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-dipropylbenzamide (PubChem CID 119410677) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-dipropylbenzamide
PubChem CID119410677
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)N2CC[C@@H](N)C2)c1
InChIInChI=1S/C18H27N3O2/c1-3-9-20(10-4-2)17(22)14-6-5-7-15(12-14)18(23)21-11-8-16(19)13-21/h5-7,12,16H,3-4,8-11,13,19H2,1-2H3/t16-/m1/s1
InChIKeyDSJKBLQMVCRVGX-MRXNPFEDSA-N
XLogP2.12
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylpiperidine-1-carbonyl)-N,N-dipropylbenzamide
CID 109052323
3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N,N-dipropylbenzamide
CID 119544153
[(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 81469149
[(3R)-3-aminopyrrolidin-1-yl]-[4-[ethyl(propyl)amino]phenyl]methanone;dihydrochloride
CID 119409534
3-(3-aminopiperidine-1-carbonyl)-N-propylbenzamide
CID 119377560
[(3R)-3-aminopyrrolidin-1-yl]-(3-iodophenyl)methanone
CID 81469857
(3-aminophenyl)-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 119895929
3-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea;hydrochloride
CID 119412176
[(3R)-3-aminopyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119413252
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-propylbenzamide;hydrochloride
CID 119483619
[(3S)-3-aminopyrrolidin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 124682177
(3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119483027

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-dipropylbenzamide?
The IUPAC name of 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-dipropylbenzamide (CID 119410677) is 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-dipropylbenzamide.
What is the SMILES notation for 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-dipropylbenzamide?
The canonical SMILES for 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cccc(C(=O)N2CC[C@@H](N)C2)c1.
What is the InChIKey of 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-dipropylbenzamide?
The InChIKey is DSJKBLQMVCRVGX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-9-20(10-4-2)17(22)14-6-5-7-15(12-14)18(23)21-11-8-16(19)13-21/h5-7,12,16H,3-4,8-11,13,19H2,1-2H3/t16-/m1/s1.
What are the key properties of 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-dipropylbenzamide?
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-dipropylbenzamide has a molecular weight of 317.43 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-dipropylbenzamide is sourced from PubChem (CID 119410677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).